CHEBI:211621 - Penicilquei B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Penicilquei B
ChEBI ID CHEBI:211621
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H27NO5
Net Charge 0
Average Mass 361.438
Monoisotopic Mass 361.18892
InChI InChI=1S/C20H27NO5/c1-5-7-15(12-22)8-6-9-16(13(2)23)17-10-18(21-14(3)24)20(26-4)11-19(17)25/h5-11,13,16,22-23,25H,12H2,1-4H3,(H,21,24)/b7-5-,9-6+,15-8-/t13-,16-/m1/s1
InChIKey YUAMXQIJNWAZMP-PTDCQVLRSA-N
SMILES O=C(NC1=C(OC)C=C(O)C(=C1)[C@H](/C=C/C=C(/C=C\C)\CO)[C@H](O)C)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Penicilquei B (CHEBI:211621) is a methoxybenzenes (CHEBI:51683)
Penicilquei B (CHEBI:211621) is a phenols (CHEBI:33853)
IUPAC Name
N-[4-hydroxy-5-[(2R,3S,4E,6Z,8Z)-2-hydroxy-7-(hydroxymethyl)deca-4,6,8-trien-3-yl]-2-methoxyphenyl]acetamide
Manual Xref Database
79715300 ChemSpider
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